561307-71-9

561307-71-9 - Names and Identifiers

Name	1H-Indole-1-carboxylic acid, 5-(3-Methoxy-3-oxo-1-propenyl)-, 1,1-diMethylethyl ester
Synonyms	tert-Butyl 5-(3-methoxy-3-oxoprop-1-en-1-yl)-1H-indole-1-carboxylate (E)-tert-butyl 5-(3-methoxy-3-oxoprop-1-en-1-yl)-1H-indole-1-carboxylate tert-Butyl 5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]-1H-indole-1-carboxylate 1H-Indole-1-carboxylic acid, 5-(3-Methoxy-3-oxo-1-propenyl)-, 1,1-diMethylethyl ester 1H-Indole-1-carboxylic acid, 5-(3-methoxy-3-oxo-1-propen-1-yl)-, 1,1-dimethylethyl ester
CAS	561307-71-9

561307-71-9 - Physico-chemical Properties

Molecular Formula	C17H19NO4
Molar Mass	301.34
Storage Condition	2-8°C

561307-71-9 - Introduction

1H-Indole-1-carboxylic acid, 5-(3-Methoxy-3-oxo-1-propenyl)-, 1,1-diMethylethyl ester is an organic compound with the chemical formula C18H21NO5. It is a Boc-protected ester of an indole, where Boc represents a bis-tert-butoxycarbonyl group.

The compound has the following properties:
-Appearance: White to yellowish solid
-Melting point: about 80-82°C
-Molecular weight: 335.36g/mol

The use of the compound mainly has the following aspects:
1. as an intermediate in organic synthesis: 1H-indole-1-carboxylic acid, 5-(3-methoxy -3-oxo-1-propenyl)-, 1,1-dimethylethyl ester can be used to synthesize other organic compounds, such as indole antitumor drugs, bioactive molecules, organic photoelectric materials, etc.
2. chemical research: can be used for the synthesis of indole derivatives and related reactions.

The synthesis method of the compound is as follows:
First, the Boc group is protected at the carboxyl group of the indole to form N-Boc-indole. Then, a 3-methoxy-3-oxo-1-propene functional group is introduced at the C- 5 position. Finally, the 1,1-dimethylethyl group was reacted with C- 1 carboxylic acid by esterification to give the target compound 1H-Indole-1-carboxylic acid, 5-(3-Methoxy-3-oxo-1-propenyl)-, 1,1-diMethylethyl ester.

Due to the lack of specific safety data, normal chemical laboratory safety practices should be followed during handling and storage, and appropriate personal protective equipment (such as gloves, goggles and laboratory coats) should be worn. When using this compound, care should be taken to avoid inhalation of aerosols or contact with the skin. In case of accidental contact, rinse immediately with plenty of water. Please read the safety data sheet provided by the supplier carefully before use.

Last Update：2024-04-10 22:41:30